1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C21H27N3O2/c1-15-5-7-19(8-6-15)24-16(2)13-20(17(24)3)21(26)14-22-9-11-23(12-10-22)18(4)25/h5-8,13H,9-12,14H2,1-4H3/p+1